D144-0038 Screening compound: 11-chloro-3-(3,4,5-trimethoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

D144-0038 Screening compound: 11-chloro-3-(3,4,5-trimethoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
D144-0038 Screening compound: 11-chloro-3-(3,4,5-trimethoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D144-0038
11-chloro-3-(3,4,5-trimethoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D144-0038

Molecular Formula

C24H24ClNO6 (C24 H24 ClNO6)

Compound Name

11-chloro-3-(3,4,5-trimethoxybenzyl)-3,4,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

IUPAC name

8-chloro-4-[(345-trimethoxyphenyl)methyl]-617-dioxa-4-azatetracyclo[8.7.0.0^{27}.0^{1115}]heptadeca-17911(15)-tetraen-16-one

SMILES

COc1cc(CN(Cc2c(c(C3=C4CCC3)c3)OC4=O)COc2c3Cl)cc(OC)c1OC

InChI

InChI=1S/C24H24ClNO6/c1-28-19-7-13(8-20(29-2)23(19)30-3)10-26-11-17-21-16(9-18(25)22(17)31-12-26)14-5-4-6-15(14)24(27)32-21/h7-9H,4-6,10-12H2,1-3H3

InChI Key

BEQNLPKQWPNRPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04145065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-4.59

Polar Surface Area

56.378

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D144-0038 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Steroid-like Compounds (494 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D144-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D144-0038?
Check Price and Availability of D144-0038, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D144-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D144-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D144-0038
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D144-0038 available by request